N-[(4-hydroxyphenyl)methyl]-N,1,5-trimethylpyrazole-4-carboxamide

C14H17N3O2 — CID 54914194

IUPACN-[(4-hydroxyphenyl)methyl]-N,1,5-trimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)N(C)Cc2ccc(O)cc2)cnn1C
InChIInChI=1S/C14H17N3O2/c1-10-13(8-15-17(10)3)14(19)16(2)9-11-4-6-12(18)7-5-11/h4-8,18H,9H2,1-3H3
InChIKeyPOEFDZAZFUDGAE-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.71
Rot. Bonds3

About N-[(4-hydroxyphenyl)methyl]-N,1,5-trimethylpyrazole-4-carboxamide

N-[(4-hydroxyphenyl)methyl]-N,1,5-trimethylpyrazole-4-carboxamide (PubChem CID 54914194) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[(4-hydroxyphenyl)methyl]-N,1,5-trimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxyphenyl)methyl]-N,1,5-trimethylpyrazole-4-carboxamide
PubChem CID54914194
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-[(4-hydroxyphenyl)methyl]-N,1,5-trimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)N(C)Cc2ccc(O)cc2)cnn1C
InChIInChI=1S/C14H17N3O2/c1-10-13(8-15-17(10)3)14(19)16(2)9-11-4-6-12(18)7-5-11/h4-8,18H,9H2,1-3H3
InChIKeyPOEFDZAZFUDGAE-UHFFFAOYSA-N
XLogP1.71
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyphenyl)methyl]-N,1,5-trimethylpyrazole-4-carboxamide?
The IUPAC name of N-[(4-hydroxyphenyl)methyl]-N,1,5-trimethylpyrazole-4-carboxamide (CID 54914194) is N-[(4-hydroxyphenyl)methyl]-N,1,5-trimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(4-hydroxyphenyl)methyl]-N,1,5-trimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[(4-hydroxyphenyl)methyl]-N,1,5-trimethylpyrazole-4-carboxamide is Cc1c(C(=O)N(C)Cc2ccc(O)cc2)cnn1C.
What is the InChIKey of N-[(4-hydroxyphenyl)methyl]-N,1,5-trimethylpyrazole-4-carboxamide?
The InChIKey is POEFDZAZFUDGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-10-13(8-15-17(10)3)14(19)16(2)9-11-4-6-12(18)7-5-11/h4-8,18H,9H2,1-3H3.
What are the key properties of N-[(4-hydroxyphenyl)methyl]-N,1,5-trimethylpyrazole-4-carboxamide?
N-[(4-hydroxyphenyl)methyl]-N,1,5-trimethylpyrazole-4-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyphenyl)methyl]-N,1,5-trimethylpyrazole-4-carboxamide is sourced from PubChem (CID 54914194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).